1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol

C20H44N2O4 — CID 12838853

IUPAC1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
SMILESCCCCCCNCC(O)COCCOCC(O)CNCCCCCC
InChIInChI=1S/C20H44N2O4/c1-3-5-7-9-11-21-15-19(23)17-25-13-14-26-18-20(24)16-22-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyFYFJMXZRUKZWLB-UHFFFAOYSA-N
MW376.58 g/mol
LogP2.08
Rot. Bonds21

About 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol

1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol (PubChem CID 12838853) has the molecular formula C20H44N2O4 and a molecular weight of 376.58 g/mol. Its IUPAC name is 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
PubChem CID12838853
Molecular FormulaC20H44N2O4
Molecular Weight376.58 g/mol
Exact Mass376.33
IUPAC Name1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
SMILESCCCCCCNCC(O)COCCOCC(O)CNCCCCCC
InChIInChI=1S/C20H44N2O4/c1-3-5-7-9-11-21-15-19(23)17-25-13-14-26-18-20(24)16-22-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyFYFJMXZRUKZWLB-UHFFFAOYSA-N
XLogP2.08
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol (CID 12838853) is 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol is CCCCCCNCC(O)COCCOCC(O)CNCCCCCC.
What is the InChIKey of 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
The InChIKey is FYFJMXZRUKZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O4/c1-3-5-7-9-11-21-15-19(23)17-25-13-14-26-18-20(24)16-22-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3.
What are the key properties of 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol has a molecular weight of 376.58 g/mol, XLogP of 2.08, 21 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylamino)-3-[2-[3-(hexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 12838853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).